cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

C23H24ClN5O2 — CID 90656303

IUPACcyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-7-15(2)22(26-9-14)17-8-20(25-10-18(17)24)29-6-5-28-11-19(27-21(28)12-29)23(30)31-13-16-3-4-16/h7-11,16H,3-6,12-13H2,1-2H3
InChIKeyCDKXZKQXPFEOGX-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.20
Rot. Bonds5

About cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 90656303) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID90656303
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Namecyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C23H24ClN5O2/c1-14-7-15(2)22(26-9-14)17-8-20(25-10-18(17)24)29-6-5-28-11-19(27-21(28)12-29)23(30)31-13-16-3-4-16/h7-11,16H,3-6,12-13H2,1-2H3
InChIKeyCDKXZKQXPFEOGX-UHFFFAOYSA-N
XLogP4.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 90656303) is cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is CDKXZKQXPFEOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-14-7-15(2)22(26-9-14)17-8-20(25-10-18(17)24)29-6-5-28-11-19(27-21(28)12-29)23(30)31-13-16-3-4-16/h7-11,16H,3-6,12-13H2,1-2H3.
What are the key properties of cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 437.93 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 90656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).